Geometry & MOs

Info

ID:	12715
PubChem CID:	144464
Reduced:	SO4C26H34 (1)
Stoich.:	AB4C26D34 (1)
Weight, g/mol:	442.217781
ΔH_f, kcal/mol:	-170.7
Dipole, Da:	3.45
IP(EA), eV:	-8.26(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-acetyloxy-2-tert-butyl-4-methylphenyl)sulfanyl-2-tert-butyl-6-methylphenyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)SC2=C(C(=C(C=C2)C)OC(=O)C)C(C)(C)C)C(C)(C)C)OC(=O)C

DOS

IR

Vibrations